3-[(2-methylmorpholin-4-yl)methyl]-1,3-diazaspiro[4.7]dodecane-2,4-dione

C16H27N3O3 — CID 17454172

IUPAC3-[(2-methylmorpholin-4-yl)methyl]-1,3-diazaspiro[4.7]dodecane-2,4-dione
SMILESCC1CN(CN2C(=O)NC3(CCCCCCC3)C2=O)CCO1
InChIInChI=1S/C16H27N3O3/c1-13-11-18(9-10-22-13)12-19-14(20)16(17-15(19)21)7-5-3-2-4-6-8-16/h13H,2-12H2,1H3,(H,17,21)
InChIKeyDLCTUHHGPLHECM-UHFFFAOYSA-N
MW309.41 g/mol
LogP1.70
Rot. Bonds2

About 3-[(2-methylmorpholin-4-yl)methyl]-1,3-diazaspiro[4.7]dodecane-2,4-dione

3-[(2-methylmorpholin-4-yl)methyl]-1,3-diazaspiro[4.7]dodecane-2,4-dione (PubChem CID 17454172) has the molecular formula C16H27N3O3 and a molecular weight of 309.41 g/mol. Its IUPAC name is 3-[(2-methylmorpholin-4-yl)methyl]-1,3-diazaspiro[4.7]dodecane-2,4-dione.

Molecular Properties

Compound Name3-[(2-methylmorpholin-4-yl)methyl]-1,3-diazaspiro[4.7]dodecane-2,4-dione
PubChem CID17454172
Molecular FormulaC16H27N3O3
Molecular Weight309.41 g/mol
Exact Mass309.21
IUPAC Name3-[(2-methylmorpholin-4-yl)methyl]-1,3-diazaspiro[4.7]dodecane-2,4-dione
SMILESCC1CN(CN2C(=O)NC3(CCCCCCC3)C2=O)CCO1
InChIInChI=1S/C16H27N3O3/c1-13-11-18(9-10-22-13)12-19-14(20)16(17-15(19)21)7-5-3-2-4-6-8-16/h13H,2-12H2,1H3,(H,17,21)
InChIKeyDLCTUHHGPLHECM-UHFFFAOYSA-N
XLogP1.70
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.41
LogP ≤ 51.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydantoin', 'substructure': 'N/A'}

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Related Compounds

1,3-Diazaspiro(4.5)decane-2,4-dione, 3-(morpholinomethyl)-
CID 70178
3-(2-Morpholin-4-yl-2-oxoethyl)-1,3-diazaspiro[4.7]dodecane-2,4-dione
CID 2583790
3-[2-(2,6-Dimethylmorpholin-4-yl)-2-oxoethyl]-1,3-diazaspiro[4.7]dodecane-2,4-dione
CID 3000204
3-[2-(2,6-Dimethylmorpholin-4-yl)-2-oxoethyl]-1,3-diazaspiro[4.6]undecane-2,4-dione
CID 3986277
8-Methyl-3-(2-morpholino-2-oxoethyl)-1,3-diazaspiro[4.5]decane-2,4-dione
CID 2425574
3-(2-Morpholino-2-oxoethyl)-1,3-diazaspiro[4.5]decane-2,4-dione
CID 2450111
3-[2-(3,5-Dimethylpiperidin-1-yl)-2-oxoethyl]-1,3-diazaspiro[4.7]dodecane-2,4-dione
CID 16305220
8-(Tert-butyl)-3-(2-morpholino-2-oxoethyl)-1,3-diazaspiro[4.5]decane-2,4-dione
CID 45607099
2-(2,4-dioxo-1,3-diazaspiro[4.7]dodecan-3-yl)-N,N-diethylacetamide
CID 2583620
3-[(2,6-Dimethylmorpholin-4-yl)methyl]-1,3-diazaspiro[4.5]decane-2,4-dione
CID 16374466
Ethyl 1-[(2,4-dioxo-1,3-diazaspiro[4.7]dodecan-3-yl)methyl]piperidine-4-carboxylate
CID 17441739
3-[[(2S)-2-ethylmorpholin-4-yl]methyl]-1,3-diazaspiro[4.5]decane-2,4-dione
CID 25576805

Frequently Asked Questions

What is the IUPAC name of 3-[(2-methylmorpholin-4-yl)methyl]-1,3-diazaspiro[4.7]dodecane-2,4-dione?
The IUPAC name of 3-[(2-methylmorpholin-4-yl)methyl]-1,3-diazaspiro[4.7]dodecane-2,4-dione (CID 17454172) is 3-[(2-methylmorpholin-4-yl)methyl]-1,3-diazaspiro[4.7]dodecane-2,4-dione.
What is the SMILES notation for 3-[(2-methylmorpholin-4-yl)methyl]-1,3-diazaspiro[4.7]dodecane-2,4-dione?
The canonical SMILES for 3-[(2-methylmorpholin-4-yl)methyl]-1,3-diazaspiro[4.7]dodecane-2,4-dione is CC1CN(CN2C(=O)NC3(CCCCCCC3)C2=O)CCO1.
What is the InChIKey of 3-[(2-methylmorpholin-4-yl)methyl]-1,3-diazaspiro[4.7]dodecane-2,4-dione?
The InChIKey is DLCTUHHGPLHECM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N3O3/c1-13-11-18(9-10-22-13)12-19-14(20)16(17-15(19)21)7-5-3-2-4-6-8-16/h13H,2-12H2,1H3,(H,17,21).
What are the key properties of 3-[(2-methylmorpholin-4-yl)methyl]-1,3-diazaspiro[4.7]dodecane-2,4-dione?
3-[(2-methylmorpholin-4-yl)methyl]-1,3-diazaspiro[4.7]dodecane-2,4-dione has a molecular weight of 309.41 g/mol, XLogP of 1.70, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-methylmorpholin-4-yl)methyl]-1,3-diazaspiro[4.7]dodecane-2,4-dione is sourced from PubChem (CID 17454172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).